Task 38613105
| Name | hif2a_A39_A30_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-4-6-RND1297_0 |
| Workunit | 31565640 |
| Created | 16 Apr 2026, 15:59:25 UTC |
| Sent | 16 Apr 2026, 15:59:31 UTC |
| Report deadline | 21 Apr 2026, 15:59:31 UTC |
| Received | 16 Apr 2026, 18:27:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651810 |
| Run time | 2 hours 27 min 9 sec |
| CPU time | 2 hours 22 min 11 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 31,247.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 520.02 MB |
| Peak swap size | 12.59 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:00:20 (31552): wrapper (7.9.26016): starting
18:00:20 (31552): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A30_0.pdb
QB_A39_A30_0.xml
QB_A39_A30.inpcrd
QB_A39_A30_input.yaml
QB_A39_A30.pdb
QB_A39_A30.prmtop
QB_A39_A30_sys.xml
run.bat
run.sh
18:00:21 (31552): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:00:21 (31552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
20:26:49 (31552): C:/Windows/system32/cmd.exe exited; CPU time 8531.796875
20:26:49 (31552): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 146616673 bytes.
Dumping objects ->
{3835232} normal block at 0x000002B9D8FDD350, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000002B9D7275270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x000002B9D7275120, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835199} normal block at 0x000002B9D72756D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835188} normal block at 0x000002B9D7275040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835157} normal block at 0x000002B9D9026770, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835144} normal block at 0x000002B9D726D670, 8 bytes long.
Data: < t×¹ > 00 00 74 D7 B9 02 00 00
{3833957} normal block at 0x000002B9D726D710, 8 bytes long.
Data: <ÀC Ù¹ > C0 43 08 D9 B9 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B9D7260C00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B9D7262460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002B9D72762C0, 16 bytes long.
Data: <Èn'×¹ > C8 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B9D7276220, 16 bytes long.
Data: < n'×¹ > A0 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B9D726FA30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002B9D7275E10, 16 bytes long.
Data: <xn'×¹ > 78 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B9D72766D0, 16 bytes long.
Data: <Pn'×¹ > 50 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B9D7275DC0, 16 bytes long.
Data: <(n'×¹ > 28 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B9D7276AE0, 16 bytes long.
Data: < n'×¹ > 00 6E 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B9D72755F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002B9D7275F50, 16 bytes long.
Data: <¨ô%×¹ > A8 F4 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B9D72705D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002B9D7276400, 16 bytes long.
Data: < ô%×¹ > 80 F4 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B9D7276680, 16 bytes long.
Data: <Xô%×¹ > 58 F4 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B9D7275D20, 16 bytes long.
Data: <0ô%×¹ > 30 F4 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B9D7276950, 16 bytes long.
Data: < ô%×¹ > 08 F4 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B9D72761D0, 16 bytes long.
Data: <àó%×¹ > E0 F3 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B9D7276A90, 16 bytes long.
Data: <¸ó%×¹ > B8 F3 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B9D7270330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002B9D7276270, 16 bytes long.
Data: < ó%×¹ > 90 F3 25 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B9D725F390, 320 bytes long.
Data: <pb'×¹ 0 '×¹ > 70 62 27 D7 B9 02 00 00 30 03 27 D7 B9 02 00 00
{274} normal block at 0x000002B9D7276360, 16 bytes long.
Data: <àm'×¹ > E0 6D 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B9D7275CD0, 16 bytes long.
Data: <¸m'×¹ > B8 6D 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B9D72702D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002B9D7276130, 16 bytes long.
Data: < m'×¹ > 90 6D 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B9D7270030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002B9D72760E0, 16 bytes long.
Data: <Øl'×¹ > D8 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B9D7275D70, 16 bytes long.
Data: <°l'×¹ > B0 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B9D7276630, 16 bytes long.
Data: < l'×¹ > 88 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B9D72765E0, 16 bytes long.
Data: <`l'×¹ > 60 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B9D72769F0, 16 bytes long.
Data: <8l'×¹ > 38 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B9D7275EB0, 16 bytes long.
Data: < l'×¹ > 10 6C 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B9D7276810, 16 bytes long.
Data: < U'×¹ > 10 55 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B9D7275510, 40 bytes long.
Data: < h'×¹ pg Ù¹ > 10 68 27 D7 B9 02 00 00 70 67 02 D9 B9 02 00 00
{260} normal block at 0x000002B9D7276090, 16 bytes long.
Data: <ðk'×¹ > F0 6B 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B9D72769A0, 16 bytes long.
Data: <Èk'×¹ > C8 6B 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B9D726F8B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002B9D7275C80, 16 bytes long.
Data: < k'×¹ > A0 6B 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B9D7276BA0, 992 bytes long.
Data: < \'×¹ °ø&×¹ > 80 5C 27 D7 B9 02 00 00 B0 F8 26 D7 B9 02 00 00
{92} normal block at 0x000002B9D726FDF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002B9D726E250, 16 bytes long.
Data: < T'×¹ > A0 54 27 D7 B9 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002B9D72754A0, 40 bytes long.
Data: <Pâ&×¹ ðý&×¹ > 50 E2 26 D7 B9 02 00 00 F0 FD 26 D7 B9 02 00 00
{69} normal block at 0x000002B9D726D620, 16 bytes long.
Data: < ê ´÷ > 80 EA 19 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B9D726E340, 16 bytes long.
Data: <@é ´÷ > 40 E9 19 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B9D726DAD0, 16 bytes long.
Data: <øW ´÷ > F8 57 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B9D726DEE0, 16 bytes long.
Data: <ØW ´÷ > D8 57 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B9D726DD50, 16 bytes long.
Data: <P ´÷ > 50 04 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B9D726D440, 16 bytes long.
Data: <0 ´÷ > 30 04 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B9D726E0C0, 16 bytes long.
Data: <à ´÷ > E0 02 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B9D726D7B0, 16 bytes long.
Data: < ´÷ > 10 04 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B9D726E1B0, 16 bytes long.
Data: <p ´÷ > 70 04 16 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B9D726E070, 16 bytes long.
Data: < À ´÷ > 18 C0 14 B4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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